3-butyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[(4S)-chroman-4-yl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[(4S)-chroman-4-yl]-4-keto-phthalazine-1-carboxamide Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCOC4=CC=CC=C34

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N[C@H]3CCOC4=CC=CC=C34

InChI

InChI=1S/C22H23N3O3/c1-2-3-13-25-22(27)16-9-5-4-8-15(16)20(24-25)21(26)23-18-12-14-28-19-11-7-6-10-17(18)19/h4-11,18H,2-3,12-14H2,1H3,(H,23,26)/t18-/m0/s1